SIMILAR PATTERNS OF AMINO ACIDS FOR 1N13_F_AG2F7016_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		4 LEU A  68
ASP A  64
GLY A 217
ARG A 308
 None
 0.77A 1n13A-1agxA:
0.0
1n13F-1agxA:
0.0		 1n13A-1agxA:
12.68
1n13F-1agxA:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 LEU A 426
ASP A 550
GLY A 593
ARG A 534
 None
 0.93A 1n13A-1b25A:
0.0
1n13F-1b25A:
0.0		 1n13A-1b25A:
12.02
1n13F-1b25A:
13.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		4 LEU A 382
LEU A 170
GLY A 171
GLU A 386
 HEM  A 430 (-4.6A)
None
None
None
 0.86A 1n13A-1cptA:
undetectable
1n13F-1cptA:
0.0		 1n13A-1cptA:
9.62
1n13F-1cptA:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 LEU A  31
ASP A  29
GLY A 299
GLU A  34
 None
 0.87A 1n13A-1d4eA:
0.0
1n13F-1d4eA:
0.0		 1n13A-1d4eA:
8.91
1n13F-1d4eA:
13.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1di4 LYSOZYME C

(Homo sapiens) 		PF00062
(Lys) 		4 LEU A   8
LEU A  15
GLY A  16
MET A  29
 None
 0.81A 1n13A-1di4A:
undetectable
1n13F-1di4A:
undetectable		 1n13A-1di4A:
17.65
1n13F-1di4A:
18.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dqs PROTEIN
(3-DEHYDROQUINATE
SYNTHASE)

(Aspergillus
nidulans) 		PF01761
(DHQ_synthase) 		5 LEU A 286
LEU A 325
GLY A 324
GLU A 187
ARG A 333
 None
None
None
NAD  A 400 (-3.4A)
None
 1.30A 1n13A-1dqsA:
undetectable
1n13F-1dqsA:
0.0		 1n13A-1dqsA:
11.59
1n13F-1dqsA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT

(Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A 537
ASP A  88
LEU A  89
GLY A  86
 None
 0.87A 1n13A-1e6vA:
undetectable
1n13F-1e6vA:
0.4		 1n13A-1e6vA:
6.70
1n13F-1e6vA:
11.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 LEU 1 343
ASP 1 252
LEU 1 188
ARG 1 248
 None
 0.72A 1n13A-1gt91:
0.0
1n13F-1gt91:
0.0		 1n13A-1gt91:
9.86
1n13F-1gt91:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iip CYCLOPHILIN 40

(Bos taurus) 		PF00160
(Pro_isomerase)
PF13176
(TPR_7) 		4 ASP A 196
GLY A 199
ILE A 229
MET A 241
 None
 0.77A 1n13A-1iipA:
undetectable
1n13F-1iipA:
0.0		 1n13A-1iipA:
10.68
1n13F-1iipA:
14.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		4 LEU A  35
LEU A  45
ILE A  52
MET A  95
 None
None
None
NAG  A 461 (-3.7A)
 0.87A 1n13A-1ituA:
0.0
1n13F-1ituA:
undetectable		 1n13A-1ituA:
10.03
1n13F-1ituA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iub FUCOSE-SPECIFIC
LECTIN

(Aleuria
aurantia) 		PF07938
(Fungal_lectin) 		4 LEU A 115
LEU A 102
GLY A 103
ILE A  86
 None
 0.84A 1n13A-1iubA:
undetectable
1n13F-1iubA:
undetectable		 1n13A-1iubA:
11.56
1n13F-1iubA:
15.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 LEU F 103
LEU F 131
GLY F 130
ILE F 183
 None
 0.85A 1n13A-1j8mF:
0.0
1n13F-1j8mF:
undetectable		 1n13A-1j8mF:
11.03
1n13F-1j8mF:
15.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kkh MEVALONATE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 LEU A 144
GLY A 145
ILE A 122
GLU A 135
 None
 0.81A 1n13A-1kkhA:
undetectable
1n13F-1kkhA:
undetectable		 1n13A-1kkhA:
10.78
1n13F-1kkhA:
16.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ktn 2-DEOXYRIBOSE-5-PHOS
PHATE ALDOLASE

(Escherichia
coli) 		PF01791
(DeoC) 		4 LEU A   4
LEU A 248
GLY A 249
GLU A 210
 None
 0.90A 1n13A-1ktnA:
0.0
1n13F-1ktnA:
undetectable		 1n13A-1ktnA:
17.72
1n13F-1ktnA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lwh 4-ALPHA-GLUCANOTRANS
FERASE

(Thermotoga
maritima) 		PF00128
(Alpha-amylase)
PF09178
(DUF1945) 		4 LEU A 377
LEU A 316
GLY A 313
GLU A  34
 None
 0.87A 1n13A-1lwhA:
undetectable
1n13F-1lwhA:
undetectable		 1n13A-1lwhA:
9.70
1n13F-1lwhA:
13.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A 534
ASP A  85
LEU A  86
GLY A  83
 None
 0.80A 1n13A-1mroA:
undetectable
1n13F-1mroA:
undetectable		 1n13A-1mroA:
9.29
1n13F-1mroA:
10.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		4 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.17A 1n13A-1mt1A:
7.8
1n13F-1mt1A:
undetectable		 1n13A-1mt1A:
100.00
1n13F-1mt1A:
28.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		4 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.20A 1n13A-1n2mA:
3.7
1n13F-1n2mA:
18.4		 1n13A-1n2mA:
100.00
1n13F-1n2mA:
67.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 LEU C 283
GLY C 441
ILE C 409
GLU C 300
 None
 0.71A 1n13A-1n8yC:
undetectable
1n13F-1n8yC:
undetectable		 1n13A-1n8yC:
7.00
1n13F-1n8yC:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ni5 PUTATIVE CELL CYCLE
PROTEIN MESJ

(Escherichia
coli) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		4 LEU A 155
ASP A  24
LEU A  23
GLY A  22
 None
 0.90A 1n13A-1ni5A:
undetectable
1n13F-1ni5A:
undetectable		 1n13A-1ni5A:
7.41
1n13F-1ni5A:
11.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nxz HYPOTHETICAL PROTEIN
HI0303

(Haemophilus
influenzae) 		PF04452
(Methyltrans_RNA) 		4 LEU A 182
LEU A  78
GLY A 241
ILE A 238
 None
 0.86A 1n13A-1nxzA:
undetectable
1n13F-1nxzA:
undetectable		 1n13A-1nxzA:
13.30
1n13F-1nxzA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 LEU C  51
ASP C  39
LEU B 327
ARG B   9
 None
None
TRW  C  43 ( 4.2A)
None
 0.88A 1n13A-1pbyC:
undetectable
1n13F-1pbyC:
undetectable		 1n13A-1pbyC:
22.67
1n13F-1pbyC:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A  57
LEU A  92
GLY A  93
ARG A   4
 None
 0.66A 1n13A-1qorA:
undetectable
1n13F-1qorA:
undetectable		 1n13A-1qorA:
13.96
1n13F-1qorA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1

(Canis lupus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 LEU A 175
GLY A 150
ILE A 172
MET A 221
 None
 0.93A 1n13A-1rp1A:
undetectable
1n13F-1rp1A:
undetectable		 1n13A-1rp1A:
8.24
1n13F-1rp1A:
12.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s6i CALCIUM-DEPENDENT
PROTEIN KINASE SK5

(Glycine max) 		PF13499
(EF-hand_7) 		4 LEU A  75
LEU A  36
GLY A  35
ILE A  27
 None
 0.86A 1n13A-1s6iA:
undetectable
1n13F-1s6iA:
undetectable		 1n13A-1s6iA:
16.85
1n13F-1s6iA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 LEU A 532
ASP A 441
LEU A 377
ARG A 437
 None
 0.81A 1n13A-1t1eA:
undetectable
1n13F-1t1eA:
undetectable		 1n13A-1t1eA:
7.32
1n13F-1t1eA:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 LEU A  67
ASP A  71
LEU A  74
ILE A  82
 None
 0.81A 1n13A-1u3dA:
undetectable
1n13F-1u3dA:
undetectable		 1n13A-1u3dA:
7.71
1n13F-1u3dA:
12.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		4 LEU A 352
GLY A 289
ILE A 293
GLU A 350
 None
 0.93A 1n13A-1ua7A:
undetectable
1n13F-1ua7A:
undetectable		 1n13A-1ua7A:
9.92
1n13F-1ua7A:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vi7 HYPOTHETICAL PROTEIN
YIGZ

(Escherichia
coli) 		PF01205
(UPF0029)
PF09186
(DUF1949) 		4 LEU A 192
LEU A 180
GLY A 163
ILE A 165
 None
 0.88A 1n13A-1vi7A:
undetectable
1n13F-1vi7A:
undetectable		 1n13A-1vi7A:
13.57
1n13F-1vi7A:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wch PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 ASP A2422
LEU A2425
GLY A2426
MET A2395
 None
 0.88A 1n13A-1wchA:
undetectable
1n13F-1wchA:
undetectable		 1n13A-1wchA:
12.73
1n13F-1wchA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		4 LEU A 369
LEU A 219
GLY A 218
ILE A 214
 None
 0.90A 1n13A-1wu2A:
undetectable
1n13F-1wu2A:
undetectable		 1n13A-1wu2A:
10.47
1n13F-1wu2A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y88 HYPOTHETICAL PROTEIN
AF1548

(Archaeoglobus
fulgidus) 		PF04471
(Mrr_cat) 		4 ASP A 153
LEU A 148
GLY A 147
ARG A  13
 None
 0.87A 1n13A-1y88A:
undetectable
1n13F-1y88A:
undetectable		 1n13A-1y88A:
15.58
1n13F-1y88A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zle PTR NECROSIS TOXIN

(Pyrenophora
tritici-repentis) 		PF11584
(Toxin_ToxA) 		4 LEU A 161
LEU A 108
GLY A 107
ILE A 120
 None
 0.91A 1n13A-1zleA:
undetectable
1n13F-1zleA:
undetectable		 1n13A-1zleA:
21.28
1n13F-1zleA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ako GLUTAMATE 5-KINASE

(Campylobacter
jejuni) 		PF00696
(AA_kinase) 		4 LEU A  27
LEU A 123
GLY A  91
ILE A  77
 None
 0.90A 1n13A-2akoA:
undetectable
1n13F-2akoA:
undetectable		 1n13A-2akoA:
17.92
1n13F-2akoA:
20.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ASP A 300
LEU A 301
GLY A 243
ILE A 241
ARG A 216
 None
 1.08A 1n13A-2bihA:
undetectable
1n13F-2bihA:
undetectable		 1n13A-2bihA:
8.31
1n13F-2bihA:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		5 ASP A 300
LEU A 301
GLY A 243
ILE A 241
ARG A 216
 None
 1.10A 1n13A-2biiA:
undetectable
1n13F-2biiA:
undetectable		 1n13A-2biiA:
9.14
1n13F-2biiA:
13.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A 271
LEU A 245
GLY A 184
ILE A 186
 None
 0.93A 1n13A-2cf5A:
undetectable
1n13F-2cf5A:
undetectable		 1n13A-2cf5A:
10.07
1n13F-2cf5A:
18.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2chg REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA) 		4 ASP A  61
LEU A  58
ILE A  26
GLU A  34
 None
 0.91A 1n13A-2chgA:
undetectable
1n13F-2chgA:
undetectable		 1n13A-2chgA:
13.99
1n13F-2chgA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 LEU A 288
GLY A 392
GLU A 292
ARG A 338
 None
 0.88A 1n13A-2dc0A:
undetectable
1n13F-2dc0A:
undetectable		 1n13A-2dc0A:
8.76
1n13F-2dc0A:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2djz 235AA LONG
HYPOTHETICAL
BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Pyrococcus
horikoshii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		4 ASP A 218
LEU A 217
GLY A 202
ARG A 191
 None
 0.89A 1n13A-2djzA:
undetectable
1n13F-2djzA:
0.7		 1n13A-2djzA:
12.34
1n13F-2djzA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 LEU A 441
ASP A 442
GLY A 353
ARG A 414
 NAD  A5555 (-4.5A)
None
None
None
 0.65A 1n13A-2fknA:
undetectable
1n13F-2fknA:
undetectable		 1n13A-2fknA:
7.85
1n13F-2fknA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 LEU A  52
ASP A  48
LEU A  45
ARG A  29
 None
 0.86A 1n13A-2g42A:
undetectable
1n13F-2g42A:
undetectable		 1n13A-2g42A:
24.32
1n13F-2g42A:
23.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		4 ASP A  33
LEU A 238
GLY A 239
ILE A  26
 None
 0.88A 1n13A-2gfpA:
undetectable
1n13F-2gfpA:
undetectable		 1n13A-2gfpA:
10.13
1n13F-2gfpA:
12.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		4 LEU A 266
GLY A 241
ILE A 278
MET A 271
 None
 0.77A 1n13A-2hruA:
0.0
1n13F-2hruA:
1.1		 1n13A-2hruA:
7.68
1n13F-2hruA:
12.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2icy PROBABLE
UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Arabidopsis
thaliana) 		PF01704
(UDPGP) 		4 LEU A 375
LEU A 224
GLY A 225
ILE A 227
 None
 0.89A 1n13A-2icyA:
undetectable
1n13F-2icyA:
undetectable		 1n13A-2icyA:
6.82
1n13F-2icyA:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ivy HYPOTHETICAL PROTEIN
SSO1404

(Sulfolobus
solfataricus) 		PF09827
(CRISPR_Cas2) 		4 ASP A  30
LEU A  29
GLY A  28
GLU A  77
 None
 0.86A 1n13A-2ivyA:
undetectable
1n13F-2ivyA:
undetectable		 1n13A-2ivyA:
22.99
1n13F-2ivyA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 LEU A 467
ASP A 466
LEU A 289
ARG A 297
 None
 0.91A 1n13A-2jgpA:
undetectable
1n13F-2jgpA:
1.1		 1n13A-2jgpA:
8.52
1n13F-2jgpA:
11.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjz IONIZED
CALCIUM-BINDING
ADAPTER MOLECULE 2

(Homo sapiens) 		no annotation 4 LEU B  72
LEU B  79
GLY B  80
MET B  88
 None
 0.86A 1n13A-2jjzB:
undetectable
1n13F-2jjzB:
undetectable		 1n13A-2jjzB:
23.66
1n13F-2jjzB:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o7p RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 LEU A 364
LEU A 153
GLY A 154
ILE A 321
 None
None
NAP  A 402 ( 4.8A)
None
 0.93A 1n13A-2o7pA:
undetectable
1n13F-2o7pA:
undetectable		 1n13A-2o7pA:
9.34
1n13F-2o7pA:
15.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 LEU A 282
ASP A 283
LEU A 121
GLY A 120
ARG A 332
 None
 1.45A 1n13A-2ongA:
undetectable
1n13F-2ongA:
undetectable		 1n13A-2ongA:
10.05
1n13F-2ongA:
10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 LEU A 199
ASP A 145
ILE A 333
ARG A 277
 None
 0.92A 1n13A-2p3xA:
undetectable
1n13F-2p3xA:
undetectable		 1n13A-2p3xA:
10.62
1n13F-2p3xA:
14.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 LEU A 284
ASP A 280
LEU A 276
ARG A 132
 None
 0.72A 1n13A-2pbgA:
undetectable
1n13F-2pbgA:
undetectable		 1n13A-2pbgA:
8.62
1n13F-2pbgA:
13.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q4x SEED MATURATION
PROTEIN PM36 HOMOLOG

(Arabidopsis
thaliana) 		PF03070
(TENA_THI-4) 		4 ASP A  74
GLY A  70
MET A 133
ARG A 186
 None
 0.89A 1n13A-2q4xA:
undetectable
1n13F-2q4xA:
undetectable		 1n13A-2q4xA:
12.44
1n13F-2q4xA:
17.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q6u NIKD PROTEIN

(Streptomyces
tendae) 		PF01266
(DAO) 		4 LEU A 322
GLY A  47
ILE A 228
ARG A  50
 None
None
None
FAD  A 401 ( 4.1A)
 0.87A 1n13A-2q6uA:
undetectable
1n13F-2q6uA:
undetectable		 1n13A-2q6uA:
8.92
1n13F-2q6uA:
14.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rdp PUTATIVE
TRANSCRIPTIONAL
REGULATOR MARR

(Geobacillus
stearothermophilus) 		PF01047
(MarR) 		4 LEU A  73
LEU A  82
GLY A 103
ILE A 107
 None
 0.87A 1n13A-2rdpA:
undetectable
1n13F-2rdpA:
undetectable		 1n13A-2rdpA:
22.95
1n13F-2rdpA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		4 LEU A 309
LEU A 120
GLY A 121
GLU A 313
 HEM  A 410 ( 4.5A)
None
None
None
 0.92A 1n13A-2rfbA:
undetectable
1n13F-2rfbA:
undetectable		 1n13A-2rfbA:
11.66
1n13F-2rfbA:
14.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 LEU A 445
ASP A 446
GLY A 357
ARG A 418
 NAD  A3001 (-4.1A)
None
None
None
 0.59A 1n13A-2v7gA:
undetectable
1n13F-2v7gA:
undetectable		 1n13A-2v7gA:
7.71
1n13F-2v7gA:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LEU A  87
GLY A  88
ILE A 139
MET A 136
 EPC  A1395 ( 3.8A)
None
None
None
 0.84A 1n13A-2vd9A:
undetectable
1n13F-2vd9A:
undetectable		 1n13A-2vd9A:
11.21
1n13F-2vd9A:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vha PERIPLASMIC BINDING
TRANSPORT PROTEIN

(Shigella
flexneri) 		PF00497
(SBP_bac_3) 		4 LEU A 215
GLY A  89
ILE A 107
MET A 226
 None
 0.91A 1n13A-2vhaA:
undetectable
1n13F-2vhaA:
undetectable		 1n13A-2vhaA:
10.27
1n13F-2vhaA:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		4 LEU A 385
LEU A 274
GLY A 275
ILE A 222
 None
 0.83A 1n13A-2yg1A:
undetectable
1n13F-2yg1A:
undetectable		 1n13A-2yg1A:
12.19
1n13F-2yg1A:
11.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 LEU A  40
ASP A  36
LEU A  33
ARG A 404
 None
 0.80A 1n13A-2ynkA:
undetectable
1n13F-2ynkA:
undetectable		 1n13A-2ynkA:
7.69
1n13F-2ynkA:
13.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ytw SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF00595
(PDZ) 		4 ASP A  70
LEU A  66
GLY A  65
ILE A 107
 None
 0.74A 1n13A-2ytwA:
undetectable
1n13F-2ytwA:
undetectable		 1n13A-2ytwA:
21.51
1n13F-2ytwA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		4 ASP A 355
LEU A 351
GLY A 350
ILE A 393
 None
 0.85A 1n13A-2zleA:
undetectable
1n13F-2zleA:
undetectable		 1n13A-2zleA:
9.53
1n13F-2zleA:
13.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a8u OMEGA-AMINO
ACID--PYRUVATE
AMINOTRANSFERASE

(Pseudomonas
putida) 		PF00202
(Aminotran_3) 		4 LEU X 350
GLY X 293
ILE X  71
GLU X 348
 None
 0.87A 1n13A-3a8uX:
undetectable
1n13F-3a8uX:
undetectable		 1n13A-3a8uX:
7.96
1n13F-3a8uX:
13.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 LEU A 566
ASP A 433
LEU A 434
GLY A 411
ILE A 396
 None
 1.22A 1n13A-3auoA:
undetectable
1n13F-3auoA:
undetectable		 1n13A-3auoA:
8.00
1n13F-3auoA:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b13 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF06920
(DHR-2) 		4 LEU A1530
LEU A1580
GLY A1581
MET A1512
 None
 0.92A 1n13A-3b13A:
undetectable
1n13F-3b13A:
undetectable		 1n13A-3b13A:
8.06
1n13F-3b13A:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		4 LEU A  43
ASP A  44
LEU A  53
GLY A  50
 None
 0.81A 1n13A-3bxoA:
undetectable
1n13F-3bxoA:
undetectable		 1n13A-3bxoA:
14.10
1n13F-3bxoA:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A2215
LEU A2149
GLY A2122
ILE A1159
MET A2175
 None
 1.48A 1n13A-3cmtA:
undetectable
1n13F-3cmtA:
undetectable		 1n13A-3cmtA:
2.86
1n13F-3cmtA:
5.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A3215
LEU A3149
GLY A3122
ILE A2159
MET A3175
 None
 1.50A 1n13A-3cmtA:
undetectable
1n13F-3cmtA:
undetectable		 1n13A-3cmtA:
2.86
1n13F-3cmtA:
5.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmt PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A4215
LEU A4149
GLY A4122
ILE A3159
MET A4175
 None
 1.47A 1n13A-3cmtA:
undetectable
1n13F-3cmtA:
undetectable		 1n13A-3cmtA:
2.86
1n13F-3cmtA:
5.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cmu PROTEIN RECA

(Escherichia
coli) 		PF00154
(RecA) 		5 LEU A1215
LEU A1149
GLY A1122
ILE A 159
MET A1175
 None
 1.50A 1n13A-3cmuA:
undetectable
1n13F-3cmuA:
undetectable		 1n13A-3cmuA:
2.68
1n13F-3cmuA:
4.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d9w PUTATIVE
ACETYLTRANSFERASE

(Nocardia
farcinica) 		PF00797
(Acetyltransf_2) 		5 LEU A  54
ASP A 275
LEU A 276
GLY A 273
GLU A  52
 None
 1.28A 1n13A-3d9wA:
undetectable
1n13F-3d9wA:
undetectable		 1n13A-3d9wA:
10.03
1n13F-3d9wA:
15.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		4 LEU A 287
ASP A 288
LEU A 297
GLY A 294
 None
 0.81A 1n13A-3dliA:
undetectable
1n13F-3dliA:
undetectable		 1n13A-3dliA:
10.86
1n13F-3dliA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dnp STRESS RESPONSE
PROTEIN YHAX

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		4 LEU A 211
LEU A 204
GLY A 203
ILE A  71
 None
 0.90A 1n13A-3dnpA:
undetectable
1n13F-3dnpA:
undetectable		 1n13A-3dnpA:
17.91
1n13F-3dnpA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		4 ASP A 139
LEU A 142
GLY A 143
ARG A 226
 None
 0.76A 1n13A-3dpiA:
undetectable
1n13F-3dpiA:
undetectable		 1n13A-3dpiA:
10.56
1n13F-3dpiA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		4 LEU A  56
ASP A  57
LEU A  66
GLY A  63
 None
SAH  A 300 ( 4.7A)
None
None
 0.79A 1n13A-3e8sA:
undetectable
1n13F-3e8sA:
undetectable		 1n13A-3e8sA:
12.15
1n13F-3e8sA:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gx1 LIN1832 PROTEIN

(Listeria
innocua) 		PF03610
(EIIA-man) 		4 LEU A 566
LEU A 646
GLY A 647
ILE A 653
 None
SO4  A 709 ( 4.2A)
None
None
 0.79A 1n13A-3gx1A:
undetectable
1n13F-3gx1A:
undetectable		 1n13A-3gx1A:
21.54
1n13F-3gx1A:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h55 ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Homo sapiens) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 ASP A 141
GLY A 132
ILE A  82
ARG A  85
 None
 0.75A 1n13A-3h55A:
undetectable
1n13F-3h55A:
undetectable		 1n13A-3h55A:
9.42
1n13F-3h55A:
14.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3icj UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
furiosus) 		PF07969
(Amidohydro_3) 		4 LEU A 467
GLY A 428
ILE A 390
GLU A 457
 None
 0.90A 1n13A-3icjA:
undetectable
1n13F-3icjA:
undetectable		 1n13A-3icjA:
10.18
1n13F-3icjA:
11.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iz3 STRUCTURAL PROTEIN
VP1

(Cypovirus 1) 		no annotation 4 LEU B1061
LEU B 251
GLY B 250
ILE B 219
 None
 0.88A 1n13A-3iz3B:
undetectable
1n13F-3iz3B:
undetectable		 1n13A-3iz3B:
3.39
1n13F-3iz3B:
6.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 LEU A 344
ASP A 401
ILE A  24
GLU A 323
 None
 0.82A 1n13A-3k92A:
undetectable
1n13F-3k92A:
undetectable		 1n13A-3k92A:
8.70
1n13F-3k92A:
14.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl4 SIGNAL RECOGNITION
54 KDA PROTEIN

(Sulfolobus
solfataricus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 LEU A 101
LEU A 129
GLY A 128
ILE A 181
 None
 0.88A 1n13A-3kl4A:
undetectable
1n13F-3kl4A:
undetectable		 1n13A-3kl4A:
9.07
1n13F-3kl4A:
14.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lqu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Salmonella
enterica) 		PF00926
(DHBP_synthase) 		4 LEU A 140
GLY A  94
GLU A  40
ARG A 150
 5SP  A 500 ( 4.8A)
None
5SP  A 500 (-3.9A)
5SP  A 500 (-2.8A)
 0.80A 1n13A-3lquA:
undetectable
1n13F-3lquA:
undetectable		 1n13A-3lquA:
13.36
1n13F-3lquA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lvg CLATHRIN HEAVY CHAIN
1

(Bos taurus) 		PF00637
(Clathrin) 		4 LEU A1361
LEU A1336
ILE A1345
GLU A1353
 None
 0.85A 1n13A-3lvgA:
undetectable
1n13F-3lvgA:
undetectable		 1n13A-3lvgA:
8.03
1n13F-3lvgA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m05 UNCHARACTERIZED
PROTEIN PEPE_1480

(Pediococcus
pentosaceus) 		PF06153
(CdAMP_rec) 		4 LEU A  18
ASP A  14
GLY A  96
ARG A  69
 None
 0.88A 1n13A-3m05A:
undetectable
1n13F-3m05A:
undetectable		 1n13A-3m05A:
17.24
1n13F-3m05A:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nwr A RUBISCO-LIKE
PROTEIN

(Paraburkholderia
fungorum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ASP A  18
LEU A 130
GLU A  65
ARG A 133
 None
 0.91A 1n13A-3nwrA:
undetectable
1n13F-3nwrA:
undetectable		 1n13A-3nwrA:
8.00
1n13F-3nwrA:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)

(Rhodobacter
sphaeroides) 		PF00588
(SpoU_methylase) 		5 LEU A 129
ASP A 126
LEU A 122
GLY A 116
ARG A  11
 None
None
None
ACY  A 250 (-4.5A)
None
 1.40A 1n13A-3onpA:
undetectable
1n13F-3onpA:
undetectable		 1n13A-3onpA:
12.18
1n13F-3onpA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pg5 UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF13614
(AAA_31) 		4 LEU A 349
ASP A 177
GLY A 175
ARG A 233
 None
 0.91A 1n13A-3pg5A:
undetectable
1n13F-3pg5A:
undetectable		 1n13A-3pg5A:
11.35
1n13F-3pg5A:
16.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s4l CAS3 METAL DEPENDENT
PHOSPHOHYDROLASE

(Methanocaldococcus
jannaschii) 		no annotation 4 LEU A  62
LEU A 212
GLY A 209
ILE A 207
 None
 0.89A 1n13A-3s4lA:
undetectable
1n13F-3s4lA:
undetectable		 1n13A-3s4lA:
11.62
1n13F-3s4lA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1

(Mus musculus) 		PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40) 		4 LEU A 568
GLY A 567
ILE A 563
GLU A 587
 None
 0.91A 1n13A-3sfzA:
undetectable
1n13F-3sfzA:
undetectable		 1n13A-3sfzA:
3.42
1n13F-3sfzA:
7.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(uncultured
archaeon) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 LEU B 187
GLY B 125
ILE B 118
GLU B 220
 None
 0.91A 1n13A-3sqgB:
undetectable
1n13F-3sqgB:
undetectable		 1n13A-3sqgB:
9.07
1n13F-3sqgB:
13.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		4 ASP A 303
LEU A 273
GLY A 272
ARG A 265
 None
None
SO4  A 543 ( 3.8A)
None
 0.80A 1n13A-3sqlA:
undetectable
1n13F-3sqlA:
undetectable		 1n13A-3sqlA:
7.61
1n13F-3sqlA:
12.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ulz BRASSINOSTEROID
INSENSITIVE
1-ASSOCIATED
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		4 LEU A 423
GLY A 433
MET A 481
GLU A 484
 None
 0.85A 1n13A-3ulzA:
undetectable
1n13F-3ulzA:
undetectable		 1n13A-3ulzA:
10.67
1n13F-3ulzA:
17.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uxf FIMBRIAL SUBUNIT
TYPE 1

(Actinomyces
oris) 		no annotation 4 LEU A 278
LEU A 323
GLY A 322
ILE A 208
 None
 0.83A 1n13A-3uxfA:
undetectable
1n13F-3uxfA:
undetectable		 1n13A-3uxfA:
7.99
1n13F-3uxfA:
11.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wq8 BETA-GLUCOSIDASE

(Pyrococcus
furiosus) 		PF00232
(Glyco_hydro_1) 		4 LEU A 360
LEU A 299
GLY A 260
ILE A 262
 None
 0.85A 1n13A-3wq8A:
undetectable
1n13F-3wq8A:
undetectable		 1n13A-3wq8A:
7.66
1n13F-3wq8A:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wvs PUTATIVE
MONOOXYGENASE

(Streptomyces
sp. SN-593) 		PF00067
(p450) 		4 LEU A  60
ASP A  57
LEU A  38
GLY A  37
 None
 0.93A 1n13A-3wvsA:
undetectable
1n13F-3wvsA:
undetectable		 1n13A-3wvsA:
10.00
1n13F-3wvsA:
15.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		4 LEU A  92
ASP A  96
ILE A  39
GLU A 193
 None
K  A1497 (-4.0A)
None
None
 0.90A 1n13A-4a0mA:
undetectable
1n13F-4a0mA:
undetectable		 1n13A-4a0mA:
7.19
1n13F-4a0mA:
12.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a29 ENGINEERED
RETRO-ALDOL ENZYME
RA95.0

(synthetic
construct) 		PF00218
(IGPS) 		4 LEU A  33
ASP A 128
GLY A 126
ARG A  28
 None
 0.58A 1n13A-4a29A:
undetectable
1n13F-4a29A:
undetectable		 1n13A-4a29A:
15.02
1n13F-4a29A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		4 LEU A  35
GLY A 170
GLU A  12
ARG A 172
 None
 0.80A 1n13A-4a9aA:
undetectable
1n13F-4a9aA:
undetectable		 1n13A-4a9aA:
11.49
1n13F-4a9aA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cd8 ENDO-BETA-1,4-MANNAN
ASE

(Alicyclobacillus
acidocaldarius) 		no annotation 4 ASP A 196
LEU A 176
GLY A 175
ARG A 170
 None
 0.76A 1n13A-4cd8A:
undetectable
1n13F-4cd8A:
undetectable		 1n13A-4cd8A:
9.06
1n13F-4cd8A:
17.43